≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504768642 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768642 |
| Canonical Smiles | CC1=CC(=C(C=C1C(=O)O)F)F |
| IUPAC Name | 4,5-difluoro-2-methylbenzoic acid |
| InChIKey | LDMHYYGJZWDBQL-UHFFFAOYSA-N |
| INCHI | 1S/C8H6F2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12) |
| Isomeric SMILES | CC1=CC(=C(C=C1C(=O)O)F)F |
| Molecular Weight | 172.13 |
| Reaxy-Rn | 11615743 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11615743&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 4-halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Toluenes Fluorobenzenes Aryl fluorides Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1816122 | Certificate of Analysis | Jun 11, 2026 | D120461 |
| K1816121 | Certificate of Analysis | Jun 11, 2026 | D120461 |
| E1715156 | Certificate of Analysis | Jan 20, 2025 | D120461 |
| I2222645 | Certificate of Analysis | Jul 18, 2022 | D120461 |
| I2222851 | Certificate of Analysis | Jul 18, 2022 | D120461 |
| I2222852 | Certificate of Analysis | Jul 18, 2022 | D120461 |
| I2222853 | Certificate of Analysis | Jul 18, 2022 | D120461 |
| L2413007 | Certificate of Analysis | Jul 18, 2022 | D120461 |
| Melt Point(°C) | 119-121°C |
|---|---|
| Molecular Weight | 172.130 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 172.034 Da |
| Monoisotopic Mass | 172.034 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
